6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

C16H18FN5O3 — CID 91815902

IUPAC6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1F
InChIInChI=1S/C16H18FN5O3/c1-3-11-14(17)15(19-9-18-11)25-10-6-7-22(8-10)16(24)12-4-5-13(23)21(2)20-12/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyBDTBMJQRHGRYGJ-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.57
Rot. Bonds4

About 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 91815902) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID91815902
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1F
InChIInChI=1S/C16H18FN5O3/c1-3-11-14(17)15(19-9-18-11)25-10-6-7-22(8-10)16(24)12-4-5-13(23)21(2)20-12/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyBDTBMJQRHGRYGJ-UHFFFAOYSA-N
XLogP0.57
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-oxoethyl)-5,6-dimethylpyrimidin-4(3H)-one
CID 121017713
4-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1H-imidazol-2(3H)-one
CID 121017718
(5-Chloro-6-hydroxypyridin-3-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017728
(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
CID 121017736
2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 124856133
4-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 129355049
6-[(3S)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 129564521
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-methoxyethanone
CID 91815903
2-Cyclopropyl-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 91815907
2-(Cyclopentylthio)-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 119100438
3-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1-methylpyridin-2(1H)-one
CID 119100442
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)pent-4-en-1-one
CID 119100448

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (CID 91815902) is 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is CCc1ncnc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1F.
What is the InChIKey of 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is BDTBMJQRHGRYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-3-11-14(17)15(19-9-18-11)25-10-6-7-22(8-10)16(24)12-4-5-13(23)21(2)20-12/h4-5,9-10H,3,6-8H2,1-2H3.
What are the key properties of 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 347.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91815902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).